Leu-phe

Details

• Internal ID: 4c944156-28bb-4463-aadf-0f9596af77b2
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Dipeptides
• IUPAC Name: (2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-phenylpropanoic acid
• SMILES (Canonical): CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)O)N
• SMILES (Isomeric): CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)N
• InChI: InChI=1S/C15H22N2O3/c1-10(2)8-12(16)14(18)17-13(15(19)20)9-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9,16H2,1-2H3,(H,17,18)(H,19,20)/t12-,13-/m0/s1
• InChI Key: KFKWRHQBZQICHA-STQMWFEESA-N
• Popularity: 1,278 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₂N₂O₃
• Molecular Weight: 278.35 g/mol
• Exact Mass: 278.16304257 g/mol
• Topological Polar Surface Area (TPSA): 92.40 Ų
• XlogP: -1.10

Synonyms

• 3063-05-6
• LEU-PHE
• Leucyl-phenylalanine
• L-Leu-L-Phe
• L-LEUCYL-L-PHENYLALANINE
• L-Phenylalanine, L-leucyl-
• CHEBI:73585
• (2S)-2-[(2S)-2-AMINO-4-METHYLPENTANAMIDO]-3-PHENYLPROPANOIC ACID
• (2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-phenylpropanoic acid
• CHEMBL54936
• SCHEMBL1864709
• KFKWRHQBZQICHA-STQMWFEESA-N
• DTXSID501036415
• MFCD00063156
• AKOS010421060
• AS-58911
• HY-113278
• CS-0059494
• D95550
• J-018041
• Q27141902
• 2-(2-Amino-4-methyl-pentanoylamino)-3-phenyl-propionic acid
• L-F

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL2581	P07339	Cathepsin D	99.44%	98.95%
CHEMBL221	P23219	Cyclooxygenase-1	99.30%	90.17%
CHEMBL1255126	O15151	Protein Mdm4	95.57%	90.20%
CHEMBL3359	P21462	Formyl peptide receptor 1	94.14%	93.56%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	93.26%	96.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	90.87%	95.56%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	90.21%	100.00%
CHEMBL3837	P07711	Cathepsin L	89.21%	96.61%
CHEMBL1795139	Q8IU80	Transmembrane protease serine 6	88.33%	98.33%
CHEMBL3060	Q9Y345	Glycine transporter 2	87.83%	99.17%
CHEMBL3976	Q9UHL4	Dipeptidyl peptidase II	87.61%	92.29%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	86.84%	95.50%
CHEMBL2095164	P49354	Geranylgeranyl transferase type I	83.06%	92.80%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	81.42%	91.11%
CHEMBL2514	O95665	Neurotensin receptor 2	80.76%	100.00%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	80.69%	96.95%
CHEMBL4040	P28482	MAP kinase ERK2	80.25%	83.82%
CHEMBL4657	Q6V1X1	Dipeptidyl peptidase VIII	80.24%	97.21%
CHEMBL3492	P49721	Proteasome Macropain subunit	80.17%	90.24%
CHEMBL5028	O14672	ADAM10	80.14%	97.50%

Plants that contains it

• Arabidopsis thaliana

Cross-Links

• PubChem: 6992310
• LOTUS: LTS0174917
• wikiData: Q27141902